3AQV
Human AMP-activated protein kinase alpha 2 subunit kinase domain (T172D) complexed with compound C
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-06-13 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 70.476, 70.476, 130.508 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.080 |
R-factor | 0.22423 |
Rwork | 0.221 |
R-free | 0.28062 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2yza |
RMSD bond length | 0.023 |
RMSD bond angle | 2.071 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.190 |
High resolution limit [Å] | 2.080 | 2.080 |
Number of reflections | 20469 | |
<I/σ(I)> | 34.2 | 8.14 |
Completeness [%] | 99.9 | 100 |
Redundancy | 12.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 293 | 0.1M Bis-Tris (pH 6.5), 1.5M ammonium sulfate, 0.1M NaCl, 0.5mM Compound C, 5mM MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 293K |